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Taxifolin-3-glucoside

PubChem CID: 14187089

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Compound Synonyms Taxifolin-3-glucoside, 27297-45-6, Dihydroquercetin 3-glucoside, Dihydroquercetin-3 o-glucoside, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2R,3R)-, (2R,3R)-Glucodistylin, 9Y2629204W, (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one, Taxifolin-3'-O-beta-D-pyranglucoside, UNII-9Y2629204W, Glucopyranoside, taxifolin-3, beta-d, Taxifolin 3-O-beta-D-glucopyranoside, (2R,3R)-(+/-)-Taxifolin 3-glucoside, 2R,3R-Dihydroquercetin 3-O-beta-D-glucoside, (2R,3R)-(+)-Glucodistylin, CHEMBL2332678, DTXSID80181740, Flavanone, 3,3',4',5,7-pentahydroxy-, 3-beta-D-glucopyranoside, AKOS040763321, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-2,3-dihydro-5,7-dihydroxy-, (2R-trans)-, (2R,3R)-(+)-TAXIFOLIN 3-GLUCOSIDE, GLUCOPYRANOSIDE, TAXIFOLIN-3, .BETA.-D, TAXIFOLIN 3-O-.BETA.-D-GLUCOPYRANOSIDE, Q27273370, 2R,3R-DIHYDROQUERCETIN 3-O-.BETA.-D-GLUCOSIDE, FLAVANONE, 3,3',4',5,7-PENTAHYDROXY-, 3-.BETA.-D-GLUCOPYRANOSIDE, (2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one, 4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-5,7-DIHYDROXY-, (2R,3R)-, 4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-5,7-DIHYDROXY-, (2R-TRANS)-, NCGC00385598-01!(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 207.0
Hydrogen Bond Donor Count 8.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1C2CCCCC2CC(C2CCCCC2)C1CC1CCCCC1
Np Classifier Class Dihydroflavonols
Deep Smiles OC[C@H]O[C@@H]O[C@@H][C@H]OccC6=O))cO)ccc6)O)))))))cccccc6)O))O))))))))[C@@H][C@H][C@@H]6O))O))O
Heavy Atom Count 33.0
Classyfire Class Flavonoids
Scaffold Graph Node Level OC1C2CCCCC2OC(C2CCCCC2)C1OC1CCCCO1
Classyfire Subclass Flavonoid glycosides
Isotope Atom Count 0.0
Molecular Complexity 692.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 7.0
Iupac Name (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Prediction Hob 0.0
Veber Rule False
Classyfire Superclass Phenylpropanoids and polyketides
Xlogp -0.1
Gsk 4 400 Rule False
Molecular Formula C21H22O12
Scaffold Graph Node Bond Level O=C1c2ccccc2OC(c2ccccc2)C1OC1CCCCO1
Prediction Swissadme 0.0
Inchi Key FVQOMEDMFUMIMO-UTZHSPHRSA-N
Silicos It Class Soluble
Fcsp3 0.3809523809523809
Logs -3.142
Rotatable Bond Count 4.0
Logd 0.001
Synonyms taxifolin-3-glucoside
Esol Class Soluble
Functional Groups CO, CO[C@H](C)OC, cC(C)=O, cO, cOC
Compound Name Taxifolin-3-glucoside
Prediction Hob Swissadme 0.0
Exact Mass 466.111
Formal Charge 0.0
Monoisotopic Mass 466.111
Hydrogen Bond Acceptor Count 12.0
Molecular Weight 466.4
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 7.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 False
Esol -2.3335399090909097
Inchi InChI=1S/C21H22O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-27,29-30H,6H2/t13-,15-,17+,18-,19-,20+,21+/m1/s1
Smiles C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
Nring 4.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule False
Np Classifier Superclass Flavonoids

  • 1. Outgoing r'ship FOUND_IN to/from Abrus Precatorius (Plant) Rel Props:Reference:ISBN:9788172362089; ISBN:9788185042138
  • 2. Outgoing r'ship FOUND_IN to/from Achyranthes Japonica (Plant) Rel Props:Reference:
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  • 6. Outgoing r'ship FOUND_IN to/from Alnus Japonica (Plant) Rel Props:Reference:
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  • 65. Outgoing r'ship FOUND_IN to/from Mentha Japonica (Plant) Rel Props:Reference:
  • 66. Outgoing r'ship FOUND_IN to/from Metaplexis Japonica (Plant) Rel Props:Reference:
  • 67. Outgoing r'ship FOUND_IN to/from Micromeria Japonica (Plant) Rel Props:Reference:
  • 68. Outgoing r'ship FOUND_IN to/from Microtropis Japonica (Plant) Rel Props:Reference:
  • 69. Outgoing r'ship FOUND_IN to/from Mosla Japonica (Plant) Rel Props:Reference:
  • 70. Outgoing r'ship FOUND_IN to/from Murdannia Japonica (Plant) Rel Props:Reference:
  • 71. Outgoing r'ship FOUND_IN to/from Oleandra Pilosa (Plant) Rel Props:Reference:
  • 72. Outgoing r'ship FOUND_IN to/from Ophiorrhiza Japonica (Plant) Rel Props:Reference:
  • 73. Outgoing r'ship FOUND_IN to/from Orixa Japonica (Plant) Rel Props:Reference:
  • 74. Outgoing r'ship FOUND_IN to/from Osmunda Japonica (Plant) Rel Props:Reference:
  • 75. Outgoing r'ship FOUND_IN to/from Pieris Japonica (Plant) Rel Props:Reference:
  • 76. Outgoing r'ship FOUND_IN to/from Plagiochila Acanthophylla (Plant) Rel Props:Reference:
  • 77. Outgoing r'ship FOUND_IN to/from Portulaca Pilosa (Plant) Rel Props:Reference:
  • 78. Outgoing r'ship FOUND_IN to/from Prunus Japonica (Plant) Rel Props:Reference:
  • 79. Outgoing r'ship FOUND_IN to/from Pseudotsuga Japonica (Plant) Rel Props:Reference:
  • 80. Outgoing r'ship FOUND_IN to/from Pteris Japonica (Plant) Rel Props:Reference:
  • 81. Outgoing r'ship FOUND_IN to/from Pyrola Japonica (Plant) Rel Props:Reference:
  • 82. Outgoing r'ship FOUND_IN to/from Ranzania Japonica (Plant) Rel Props:Reference:
  • 83. Outgoing r'ship FOUND_IN to/from Rhamnus Japonica (Plant) Rel Props:Reference:
  • 84. Outgoing r'ship FOUND_IN to/from Rohdea Japonica (Plant) Rel Props:Reference:
  • 85. Outgoing r'ship FOUND_IN to/from Sabia Japonica (Plant) Rel Props:Reference:
  • 86. Outgoing r'ship FOUND_IN to/from Sagina Japonica (Plant) Rel Props:Reference:
  • 87. Outgoing r'ship FOUND_IN to/from Salix Japonica (Plant) Rel Props:Reference:
  • 88. Outgoing r'ship FOUND_IN to/from Saussurea Japonica (Plant) Rel Props:Reference:
  • 89. Outgoing r'ship FOUND_IN to/from Scopolia Japonica (Plant) Rel Props:Reference:
  • 90. Outgoing r'ship FOUND_IN to/from Skimmia Japonica (Plant) Rel Props:Reference:
  • 91. Outgoing r'ship FOUND_IN to/from Sophora Japonica (Plant) Rel Props:Reference:
  • 92. Outgoing r'ship FOUND_IN to/from Spergula Japonica (Plant) Rel Props:Reference:
  • 93. Outgoing r'ship FOUND_IN to/from Spiraea Japonica (Plant) Rel Props:Reference:
  • 94. Outgoing r'ship FOUND_IN to/from Stemona Japonica (Plant) Rel Props:Reference:
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  • 101. Outgoing r'ship FOUND_IN to/from Vepris Pilosa (Plant) Rel Props:Reference:
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  • 103. Outgoing r'ship FOUND_IN to/from Viola Pilosa (Plant) Rel Props:Reference:
  • 104. Outgoing r'ship FOUND_IN to/from Youngia Japonica (Plant) Rel Props:Reference:
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